ethyl 4-[2,5-dimethyl-3-[(Z)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]benzoate

Systemtic Name: ethyl 4-[2,5-dimethyl-3-[(Z)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]benzoate Openeye Name: ethyl 4-[2,5-dimethyl-3-[(Z)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]benzoate CAS Name: 4-[2,5-dimethyl-3-[(Z)-1,2,4-triazol-4-yliminomethyl]-1-pyrrolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2,5-dimethyl-3-[(Z)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]benzoate Traditional Name: 4-[2,5-dimethyl-3-[(Z)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]benzoic acid ethyl ester Formula: C18H19N5O2 MolecularWeight: 337.37576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)C=NN3C=NN=C3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)/C=N\N3C=NN=C3)C

InChI

InChI=1S/C18H19N5O2/c1-4-25-18(24)15-5-7-17(8-6-15)23-13(2)9-16(14(23)3)10-21-22-11-19-20-12-22/h5-12H,4H2,1-3H3/b21-10-